2-chloro-3-(piperidin-3-ylmethoxy)pyridine

• ChemBase ID: 20716
• Molecular Formular: C11H15ClN2O
• Molecular Mass: 226.7026
• Monoisotopic Mass: 226.08729079
• SMILES: c1(ncccc1OCC1CNCCC1)Cl
• Canonical SMILES: Clc1ncccc1OCC1CCCNC1
• InChI: InChI=1S/C11H15ClN2O/c12-11-10(4-2-6-14-11)15-8-9-3-1-5-13-7-9/h2,4,6,9,13H,1,3,5,7-8H2
• InChIKey: XNKOAGXYRIXLOZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-3-(piperidin-3-ylmethoxy)pyridine
• IUPAC Traditional name: 2-chloro-3-(piperidin-3-ylmethoxy)pyridine
• Synonyms: 2-Chloro-3-(3-piperidinylmethoxy)pyridine

Database IDs

• MDL Number: MFCD08687467
• PubChem SID: 160984023
• PubChem CID: 45075341

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.6538646
• LogD (pH = 7.4): -0.9962599
• Log P: 1.5680397
• Molar Refractivity: 61.106 cm^3
• Polarizability: 23.907879 Å^3
• Polar Surface Area: 34.15 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false